Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------MLFKLSKEKIELGLSRLSP---------ARRIFLSFALVILLGSLLLSLPFVQVESSRATYFDHLFTAVSAVCVTGLSTLPVAHTYNIWGQIICLLLIQIGGLGLMTFIGVFYIQSKQKLSLRSRATIQDSFSYGETRSLRKFVYSIFLTTFLVESLGAILLSFRLIPQLGWGRGLFSSIFLAISAFCNAGFDNLGSTSLFAFQTDLLVNLVIAGLIITGGLGFMVWFDLAGHVGRKKKGRLHFHTKLVLLLTIGLLLFGTATTLFLEWNNAGTIGNLPVADKVLVSFFQTVTMRTA-GFSTIDYTQAHPVTLLIYILQMFLGGAPGGTAGGLKITTFFVLLVFARSELLGLPHAN------VARRTIAPRTVQKSFSVFIIFLMSFLIGLILLGITAKGNPPFIHLVFETISALSTVGVT-ANLTPDLGKLALSVIMPLMFMGRIGPLTLFVSLADYHPEKKDMIHYMKADISIG 3PJZ Chain:A ((1-484)) MQFRSIIRIVGLLLALFSVTMLAPALVALLYRDGAGVPFVTTFFVLLFCGAMCWFPNRRHKHELKSRDGFLIVVLFWTVLGSAGSLPFLIADNPNISVTDAFFESFSALTTTGATVIVGLDELPKAILFYRQFLQWFGGMGIIVL-------AVAILPVLGIGGMTPR-----IAETAKALWYIYLSLTIACAVAFWLA----------GMTPFDAISHSFSTIAIGGFST--HDASMGYFDSYAINLITVVFLLISACNFTLHFAAFA--SGGVHPKYYWKDPEFRAFIFIQVLLFLVCFLLLLKHHSYT----SPYDAFDQALFQTVSISTTAGFTTTGFADWPLFLPVLLLFSSFIGGCAGSTGGGMKVIRILLLTLQGARELKRLVHPRAVYTIKVGGSALPQRVVDAVWGFFSAYALVFVVCMLGLIAT---GMDELSAFSAVAATLNNLGPGLGEVALHFGDVNDKAKWVLIVSMLFGRLEIFTLLILLTPT------FWR------

General information: TITO was launched using: RESULT: Template: 3PJZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1922 -245863 -127.92 -593.87 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -127.92 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.372

(partial model without unconserved sides chains): PDB file : Tito_3PJZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PJZ-query.scw PDB file : Tito_Scwrl_3PJZ.pdb: